Name: Nagilactone B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672608
Cas No:19891-51-1
常用名:Nagilactone B
别名:竹柏内酯 B
IUPAC:(1S,8R,9S,12S,14R,15S,16R)-8,14,15-trihydroxy-1,12-dimethyl-6-(propan-2-yl)-5,10-dioxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-2,6-diene-4,11-dione
IUPAC:(1S,8R,9S,12S,14R,15S,16R)-8,14,15-trihydroxy-1,12-dimethyl-6-(propan-2-yl)-5,10-dioxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-2,6-diene-4,11-dione
InChI key:AEGWYWSJGKOLGB-ZLNDBNLZSA-N

分子式:C19H24O7
分子量:364.394
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:-0.043024532
SMILES:[H][C@@]12OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@](C)(c4cc(=O)oc(C(C)C)c4[C@H]1O)[C@@]23[H]
SMILES:[H][C@@]12OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@](C)(c4cc(=O)oc(C(C)C)c4[C@H]1O)[C@@]23[H]

Nagilactone B is extracted from the root bark of Podocarpus nagi and it also is a liver X receptor (LXR) agonist.

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